N-ethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide

C12H17F3N4O2 — CID 90542146

IUPACN-ethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESCCNC(=O)CN1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C12H17F3N4O2/c1-2-16-9(20)7-19-5-3-8(4-6-19)10-17-18-11(21-10)12(13,14)15/h8H,2-7H2,1H3,(H,16,20)
InChIKeyOYPPJIZNXNJKFV-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.40
Rot. Bonds4

About N-ethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide

N-ethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (PubChem CID 90542146) has the molecular formula C12H17F3N4O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is N-ethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
PubChem CID90542146
Molecular FormulaC12H17F3N4O2
Molecular Weight306.29 g/mol
Exact Mass306.13
IUPAC NameN-ethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESCCNC(=O)CN1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C12H17F3N4O2/c1-2-16-9(20)7-19-5-3-8(4-6-19)10-17-18-11(21-10)12(13,14)15/h8H,2-7H2,1H3,(H,16,20)
InChIKeyOYPPJIZNXNJKFV-UHFFFAOYSA-N
XLogP1.40
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (CID 90542146) is N-ethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is CCNC(=O)CN1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of N-ethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The InChIKey is OYPPJIZNXNJKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2/c1-2-16-9(20)7-19-5-3-8(4-6-19)10-17-18-11(21-10)12(13,14)15/h8H,2-7H2,1H3,(H,16,20).
What are the key properties of N-ethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
N-ethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide has a molecular weight of 306.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 90542146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).